Ir al contenido (pulsa Retorno)

Universitat Politècnica de Catalunya

    • Català
    • Castellano
    • English
    • LoginRegisterLog in (no UPC users)
  • mailContact Us
  • world English 
    • Català
    • Castellano
    • English
  • userLogin   
      LoginRegisterLog in (no UPC users)

UPCommons. Global access to UPC knowledge

Banner header
61.704 UPC E-Prints
You are here:
View Item 
  •   DSpace Home
  • E-prints
  • Centres de recerca
  • BSC - Barcelona Supercomputing Center
  • Life Sciences
  • Articles de revista
  • View Item
  •   DSpace Home
  • E-prints
  • Centres de recerca
  • BSC - Barcelona Supercomputing Center
  • Life Sciences
  • Articles de revista
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

IRaPPA: information retrieval based integration of biophysical models for protein assembly selection

Thumbnail
View/Open
IRaPPA information retrieval based integration.pdf (1010,Kb)
 
10.1093/bioinformatics/btx068
 
  View Usage Statistics
  LA Referencia / Recolecta stats
Cita com:
hdl:2117/106834

Show full item record
Moal, Iain H.
Barradas-Bautista, Didier
Jiménez-Garcia, Brian
Torchala, Mieczyslaw
van der Velde, Arjan
Vreven, Thom
Weng, Zhiping
Bates, Paul A.
Fernández-Recio, Juan
Document typeArticle
Defense date2017-02-14
PublisherOxford University Press
Rights accessOpen Access
Attribution-NonCommercial-NoDerivs 4.0 Spain
Except where otherwise noted, content on this work is licensed under a Creative Commons license : Attribution-NonCommercial-NoDerivs 4.0 Spain
ProjectDESARROLLO DE NUEVAS METODOLOGIAS DE DOCKING ENTRE PROTEINAS PARA LOS RETOS DE INTERACTOMICA Y MEDICINA PERSONALIZADA (MINECO-BIO2013-48213-R)
EEPPIBM - Exploring the evolution of protein-protein interactions and their networks using biophysical models (EC-FP7-327899)
Abstract
Motivation: In order to function, proteins frequently bind to one another and form 3D assemblies. Knowledge of the atomic details of these structures helps our understanding of how proteins work together, how mutations can lead to disease, and facilitates the designing of drugs which prevent or mimic the interaction. Results: Atomic modeling of protein–protein interactions requires the selection of near-native structures from a set of docked poses based on their calculable properties. By considering this as an information retrieval problem, we have adapted methods developed for Internet search ranking and electoral voting into IRaPPA, a pipeline integrating biophysical properties. The approach enhances the identification of near-native structures when applied to four docking methods, resulting in a near-native appearing in the top 10 solutions for up to 50% of complexes benchmarked, and up to 70% in the top 100. Availability and Implementation: IRaPPA has been implemented in the SwarmDock server (http://bmm.crick.ac.uk/∼SwarmDock/), pyDock server (http://life.bsc.es/pid/pydockrescoring/) and ZDOCK server (http://zdock.umassmed.edu/), with code available on request.
CitationMoal, I. H. [et al.]. IRaPPA: information retrieval based integration of biophysical models for protein assembly selection. "Bioinformatics", 14 Febrer 2017, vol. 33, núm. 12, p. 1806-1813. 
URIhttp://hdl.handle.net/2117/106834
DOI10.1093/bioinformatics/btx068
ISSN1367-4803
Publisher versionhttps://academic.oup.com/bioinformatics/article-lookup/doi/10.1093/bioinformatics/btx068
Collections
  • Life Sciences - Articles de revista [333]
  View Usage Statistics

Show full item record

FilesDescriptionSizeFormatView
IRaPPA information retrieval based integration.pdf1010,KbPDFView/Open

Browse

This CollectionBy Issue DateAuthorsOther contributionsTitlesSubjectsThis repositoryCommunities & CollectionsBy Issue DateAuthorsOther contributionsTitlesSubjects

© UPC Obrir en finestra nova . Servei de Biblioteques, Publicacions i Arxius

info.biblioteques@upc.edu

  • About This Repository
  • Contact Us
  • Send Feedback
  • Privacy Settings
  • Inici de la pàgina